3-tert-butyl-9-(4-tert-butylpiperazin-1-yl)-3-azaspiro[5.5]undecane

C22H43N3 — CID 59505474

IUPAC3-tert-butyl-9-(4-tert-butylpiperazin-1-yl)-3-azaspiro[5.5]undecane
SMILESCC(C)(C)N1CCN(C2CCC3(CC2)CCN(C(C)(C)C)CC3)CC1
InChIInChI=1S/C22H43N3/c1-20(2,3)24-13-11-22(12-14-24)9-7-19(8-10-22)23-15-17-25(18-16-23)21(4,5)6/h19H,7-18H2,1-6H3
InChIKeyKDORRGPMYZGJRK-UHFFFAOYSA-N
MW349.61 g/mol
LogP4.23
Rot. Bonds1

About 3-tert-butyl-9-(4-tert-butylpiperazin-1-yl)-3-azaspiro[5.5]undecane

3-tert-butyl-9-(4-tert-butylpiperazin-1-yl)-3-azaspiro[5.5]undecane (PubChem CID 59505474) has the molecular formula C22H43N3 and a molecular weight of 349.61 g/mol. Its IUPAC name is 3-tert-butyl-9-(4-tert-butylpiperazin-1-yl)-3-azaspiro[5.5]undecane.

Molecular Properties

Compound Name3-tert-butyl-9-(4-tert-butylpiperazin-1-yl)-3-azaspiro[5.5]undecane
PubChem CID59505474
Molecular FormulaC22H43N3
Molecular Weight349.61 g/mol
Exact Mass349.35
IUPAC Name3-tert-butyl-9-(4-tert-butylpiperazin-1-yl)-3-azaspiro[5.5]undecane
SMILESCC(C)(C)N1CCN(C2CCC3(CC2)CCN(C(C)(C)C)CC3)CC1
InChIInChI=1S/C22H43N3/c1-20(2,3)24-13-11-22(12-14-24)9-7-19(8-10-22)23-15-17-25(18-16-23)21(4,5)6/h19H,7-18H2,1-6H3
InChIKeyKDORRGPMYZGJRK-UHFFFAOYSA-N
XLogP4.23
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.61
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-tert-butyl-4-(6,6-dimethylpiperidin-3-yl)piperazine
CID 117021722
4-(4-tert-butylpiperazin-1-yl)-N,N-dimethylpiperidin-1-amine
CID 146369185
2-(1-tert-butylpiperidin-4-yl)-7-methyl-2,7-diazaspiro[3.5]nonane
CID 168769171
1-tert-butyl-N-spiro[4.5]decan-8-ylpiperidin-4-amine
CID 114817492
1-tert-butyl-4-(3-fluoro-3-methylcyclobutyl)piperazine
CID 158207232
3-(3-azaspiro[5.5]undecan-9-yl)-3,9-diazaspiro[5.5]undecane
CID 146248908
7-tert-butyl-2-fluoro-7-azaspiro[3.5]nonane
CID 154931410
1-(9-methylspiro[5.5]undecan-3-yl)azetidine
CID 90712443
1-tert-butyl-4-(oxolan-3-yl)piperazine
CID 118531588
3-(4-tert-butylpiperazin-1-yl)cyclopentan-1-amine
CID 79467792
2-tert-butyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 23403360
3-tert-butyl-9-(2,2-dimethylpropyl)-3,9-diazaspiro[5.5]undecane
CID 156551247

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-9-(4-tert-butylpiperazin-1-yl)-3-azaspiro[5.5]undecane?
The IUPAC name of 3-tert-butyl-9-(4-tert-butylpiperazin-1-yl)-3-azaspiro[5.5]undecane (CID 59505474) is 3-tert-butyl-9-(4-tert-butylpiperazin-1-yl)-3-azaspiro[5.5]undecane.
What is the SMILES notation for 3-tert-butyl-9-(4-tert-butylpiperazin-1-yl)-3-azaspiro[5.5]undecane?
The canonical SMILES for 3-tert-butyl-9-(4-tert-butylpiperazin-1-yl)-3-azaspiro[5.5]undecane is CC(C)(C)N1CCN(C2CCC3(CC2)CCN(C(C)(C)C)CC3)CC1.
What is the InChIKey of 3-tert-butyl-9-(4-tert-butylpiperazin-1-yl)-3-azaspiro[5.5]undecane?
The InChIKey is KDORRGPMYZGJRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H43N3/c1-20(2,3)24-13-11-22(12-14-24)9-7-19(8-10-22)23-15-17-25(18-16-23)21(4,5)6/h19H,7-18H2,1-6H3.
What are the key properties of 3-tert-butyl-9-(4-tert-butylpiperazin-1-yl)-3-azaspiro[5.5]undecane?
3-tert-butyl-9-(4-tert-butylpiperazin-1-yl)-3-azaspiro[5.5]undecane has a molecular weight of 349.61 g/mol, XLogP of 4.23, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-9-(4-tert-butylpiperazin-1-yl)-3-azaspiro[5.5]undecane is sourced from PubChem (CID 59505474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).